4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid

C24H26O7 — CID 168764604

IUPAC4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid
SMILESC=CC(=O)OCCOCCOCCOc1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H26O7/c1-2-23(25)31-18-16-29-14-13-28-15-17-30-22-11-7-20(8-12-22)4-3-19-5-9-21(10-6-19)24(26)27/h2-12H,1,13-18H2,(H,26,27)/b4-3+
InChIKeyACAMPMDETATXJV-ONEGZZNKSA-N
MW426.47 g/mol
LogP3.70
Rot. Bonds14

About 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid

4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid (PubChem CID 168764604) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid
PubChem CID168764604
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid
SMILESC=CC(=O)OCCOCCOCCOc1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H26O7/c1-2-23(25)31-18-16-29-14-13-28-15-17-30-22-11-7-20(8-12-22)4-3-19-5-9-21(10-6-19)24(26)27/h2-12H,1,13-18H2,(H,26,27)/b4-3+
InChIKeyACAMPMDETATXJV-ONEGZZNKSA-N
XLogP3.70
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
2-[2-(4-prop-1-en-2-ylphenoxy)ethoxy]ethyl prop-2-enoate
CID 163299706
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
2-[4-(2,2-diphenylethenyl)phenoxy]ethyl prop-2-enoate
CID 167210341
methane;4-(prop-2-enoyloxymethoxy)benzoic acid
CID 158280789
3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoic acid
CID 23516352
4-bromoaniline;4-(7-prop-2-enoyloxyheptoxy)benzoic acid
CID 70363903
2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 134268276
2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 151210127
2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
CID 123770109

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid (CID 168764604) is 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid is C=CC(=O)OCCOCCOCCOc1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid?
The InChIKey is ACAMPMDETATXJV-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H26O7/c1-2-23(25)31-18-16-29-14-13-28-15-17-30-22-11-7-20(8-12-22)4-3-19-5-9-21(10-6-19)24(26)27/h2-12H,1,13-18H2,(H,26,27)/b4-3+.
What are the key properties of 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid?
4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid has a molecular weight of 426.47 g/mol, XLogP of 3.70, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 168764604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).